SCHEMBL10187540

SCHEMBL10187540

Cc1cc(Br)cc(C)c1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16281712 1.00 ALDH1A1 (0.33) ALDH1A1POLBPKM
SCHEMBL13261956 1.00 ALDH1A1 (0.33) ALDH1A1POLBPKM
SCHEMBL10257453 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10187541 0.79 L3MBTL1 (0.34)
SCHEMBL13261980 0.79 L3MBTL1 (0.34)
SCHEMBL10257178 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18873818 0.72 ALDH1A1 (0.37) ALDH1A1POLBPKM
SCHEMBL10225611 0.72 ALDH1A1 (0.37) ALDH1A1POLBPKM
SCHEMBL10257548 0.69
SCHEMBL10257409 0.69 KDM4E (0.31) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885POLB 4374/4885PKM 2307/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.